phenoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(2-cyclohexylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: phenoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(2-cyclohexylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: phenoxycarbonyloxymethyl 3-(acetoxymethyl)-7-[(2-cyclohexylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(2-cyclohexyl-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [oxo(phenoxy)methoxy]methyl ester IUPAC Name: phenoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-[(2-cyclohexylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[(2-cyclohexylacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbophenoxyoxymethyl ester Formula: C26H30N2O9S MolecularWeight: 546.5894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3CCCCC3)SC1)C(=O)OCOC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3CCCCC3)SC1)C(=O)OCOC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O9S/c1-16(29)34-13-18-14-38-24-21(27-20(30)12-17-8-4-2-5-9-17)23(31)28(24)22(18)25(32)35-15-36-26(33)37-19-10-6-3-7-11-19/h3,6-7,10-11,17,21,24H,2,4-5,8-9,12-15H2,1H3,(H,27,30)